1,1,1-Trifluoro-3-phenylbutan-2-one

Base Information

• Chemical Name: 1,1,1-Trifluoro-3-phenylbutan-2-one
• CAS No.: 118006-64-7
• Molecular Formula: C₁₀H₉F₃O
• Molecular Weight: 202.176
• European Community (EC) Number: 969-395-3
• Nikkaji Number: J619.107J
• Mol file: 118006-64-7.mol

Synonyms:1,1,1-trifluoro-3-phenylbutan-2-one;SCHEMBL1033377;118006-64-7;EN300-1864488

Chemical Property of 1,1,1-Trifluoro-3-phenylbutan-2-one

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 202.06054939
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)C(=O)C(F)(F)F

Technology Process of 1,1,1-Trifluoro-3-phenylbutan-2-one

There total 3 articles about 1,1,1-Trifluoro-3-phenylbutan-2-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 65.0%

N,N-Dimethyl-N'-[2-phenyl-1-trifluoromethyl-prop-(E)-ylidene]-hydrazine → 1,1,1-trifluoro-3-phenylbutan-2-one (118006-64-7)

Guidance literature:

With hydrogenchloride; In diethyl ether; Ambient temperature;

DOI:10.1016/0022-1139(94)03097-J

Reference yield:

1,1,1-trifluoro-3-phenyl-2-butanol (167907-23-5) → 1,1,1-trifluoro-3-phenylbutan-2-one (118006-64-7)

Guidance literature:

With oxone; sodium ortho-iodobenzenesulfonate; In nitromethane; at 110 ℃; for 24h;

DOI:10.1016/j.jfluchem.2012.03.002

Reference yield:

<1-Phenyl-aethyliden>-triphenyl-phosphoran (58594-19-7) + trifluoroacetic anhydride (407-25-0) → 1,1,1-trifluoro-3-phenylbutan-2-one (118006-64-7)

Guidance literature:

With sodium hydroxide; Yield given. Multistep reaction; 1.) ether, -78 deg C to room temperature; 2.) ether, water, 2 h, 25 deg C;

DOI:10.1016/S0022-1139(00)83033-X

upstream raw materials:

<1-Phenyl-aethyliden>-triphenyl-phosphoran

trifluoroacetic anhydride

1,1,1-trifluoro-3-phenyl-2-butanol

Downstream raw materials:

1,1,1-trifluoro-3-phenyl-2-butanol